Skip to content

Commit

Permalink
Update README.md
Browse files Browse the repository at this point in the history
  • Loading branch information
Bin-Cao authored Oct 6, 2024
1 parent 3ce671a commit 5ae1764
Showing 1 changed file with 1 addition and 38 deletions.
39 changes: 1 addition & 38 deletions README.md
Original file line number Diff line number Diff line change
Expand Up @@ -151,44 +151,7 @@ Bgolearn.fit(
Dynamic_W=False,
seed=42,
)
Docstring:
================================================================
PACKAGE: Bayesian global optimization-learn (Bgolearn) package .
Author: Bin CAO <[email protected]>
Guangzhou Municipal Key Laboratory of Materials Informatics, Advanced Materials Thrust,
Hong Kong University of Science and Technology (Guangzhou), Guangzhou 511400, Guangdong, China
================================================================
Please feel free to open issues in the Github :
https://github.com/Bin-Cao/Bgolearn
or
contact Mr.Bin Cao ([email protected])
in case of any problems/comments/suggestions in using the code.
==================================================================
Thank you for choosing Bgolearn for material design.
Bgolearn is developed to facilitate the application of machine learning in research.

Bgolearn is designed for optimizing single-target material properties.
The BgoKit package is being developed to facilitate multi-task design.

If you need to perform multi-target optimization, here are two kind reminders:
1. Multi-tasks can be converted into a single task using domain knowledge.
For example, you can use a weighted linear combination in the simplest situation. That is, y = w*y1 + y2...

2. Multi-tasks can be optimized using Pareto fronts.
Bgolearn will return two arrays based on your dataset:
the first array is a evaluation score for each virtual sample,
while the second array is the recommended data considering only the current optimized target.

The first array is crucial for multi-task optimization.
For instance, in a two-task optimization scenario, you can evaluate each candidate twice for the two separate targets.
Then, plot the score of target 1 for each sample on the x-axis and the score of target 2 on the y-axis.
The trade-off consideration is to select the data located in the front of the banana curve.

I am delighted to invite you to participate in the development of Bgolearn.
If you have any issues or suggestions, please feel free to contact me at [email protected].
================================================================
Reference :
document : https://bgolearn.netlify.app/

================================================================

:param data_matrix: data matrix of training dataset, X .
Expand Down

0 comments on commit 5ae1764

Please sign in to comment.